SCHEMBL31466596

SCHEMBL31466596

Cc1cc(N2CCNCC2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.46
CASP4 P49662 1/20 0.46
CASP5 P51878 1/20 0.46
HRH4 Q9H3N8 2/20 0.44
ADRB1 P08588 4/20 0.44
NCF1 P14598 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
PLK4 O00444 1/20 0.43
PAK4 O96013 1/20 0.43
PLD1 Q13393 1/20 0.42
PDE10A Q9Y233 3/20 0.41
CYP1A2 P05177 1/20 0.41
BPTF Q12830 1/20 0.41
JAK2 O60674 1/20 0.40
AURKA O14965 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1269262 0.84 KDM4E (0.50) CASP1CASP4CASP5HRH4PDE10A
SCHEMBL14822948 0.79 KMT2A (0.49) HRH4JAK2AURKAALDH1A1
SCHEMBL31466460 0.73 ALDH1A1 (0.47) ALDH1A1
SCHEMBL31466248 0.73 RET (0.43) HRH4AURKA
SCHEMBL16178307 0.71 ADRB1 (0.43) CASP1CASP4CASP5HRH4ADRB1
SCHEMBL30883037 0.71 HSP90AA1 (0.48) HSP90AA1HSP90AB1PDE10AALDH1A1
SCHEMBL30877258 0.69 L3MBTL1 (0.39) PDE10ACYP1A2AURKAALDH1A1
SCHEMBL14538234 0.68 CYP1A2 (0.57) CASP1CASP4CASP5HRH4ADRB1
SCHEMBL945117 0.68 CASP1 (0.53) CASP1CASP4CASP5HRH4ADRB1
SCHEMBL3635646 0.68 BPTF (0.47) CASP1CASP4CASP5ADRB1PLD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049419-A1 PYRAZOLYL COMPOUNDS AS EMOPAMIL BINDING PROTEIN INHIBITORS GENZYME CORPORATION (US) 2025-03-06 WO disclosed